N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea

Base Information

Chemical Name:N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea
CAS No.:88451-28-9
Molecular Formula:C21H26N2O3
Molecular Weight:354.449
Hs Code.:
ChEMBL ID:CHEMBL75354
DSSTox Substance ID:DTXSID40568851
Wikidata:Q82455246

Synonyms:CHEMBL75354;88451-28-9;DTXSID40568851;BDBM50227928;N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea

Suppliers and Price of N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:354.19434270
Heavy Atom Count:26
Complexity:459

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3=C(C=C(C=C3)C)C

Technology Process of N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea

There total 3 articles about N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-butyl-N'-(2,4-dimethylphenyl)urea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 51163-29-2
N-(2,4-dimethylphenyl)isocyanate

: 68291-94-1
Benzo[1,3]dioxol-5-ylmethyl-butyl-amine

: 88451-28-9
1-Benzo[1,3]dioxol-5-ylmethyl-1-butyl-3-(2,4-dimethyl-phenyl)-urea

Guidance literature:: In hexane; Ambient temperature;
DOI:10.1021/jm00130a016

Reference yield:

: 94-53-1
Piperonylic acid

: 88451-28-9
1-Benzo[1,3]dioxol-5-ylmethyl-1-butyl-3-(2,4-dimethyl-phenyl)-urea

Guidance literature:: Multi-step reaction with 3 steps

1: 47 percent / Et₃N, BF₃*OEt₂ / toluene / Heating

2: 1) BH₃, 2) 6 N HCl / 1) THF, reflux, 2) r.t.

3: 97 percent / hexane / Ambient temperature

With hydrogenchloride; boron trifluoride diethyl etherate; borane; triethylamine; In hexane; toluene;
DOI:10.1021/jm00130a016

Reference yield:

: 99499-07-7
N-butyl-1,3-benzodioxole-5-carboxamide

: 88451-28-9
1-Benzo[1,3]dioxol-5-ylmethyl-1-butyl-3-(2,4-dimethyl-phenyl)-urea

Guidance literature:: Multi-step reaction with 2 steps

1: 1) BH₃, 2) 6 N HCl / 1) THF, reflux, 2) r.t.

2: 97 percent / hexane / Ambient temperature

With hydrogenchloride; borane; In hexane;
DOI:10.1021/jm00130a016